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17734-85-9 | 9,10-Anthracenedione, 1-amino-5-methoxy-
CAS No: 17734-85-9 Catalog No: AG00259B MDL No:
Product Description
Catalog Number:
AG00259B
Chemical Name:
9,10-Anthracenedione, 1-amino-5-methoxy-
CAS Number:
17734-85-9
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
1-amino-5-methoxyanthracene-9,10-dione
InChI:
InChI=1S/C15H11NO3/c1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17/h2-7H,16H2,1H3
InChI Key:
XIIKBXBGOHXWMO-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1c(C2=O)c(N)ccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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